Mixture of D-Limonene + Water + (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

Name: D-Limonene
InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N
Formula: C10H16
SMILES: C=C(C)[C@H]1CC=C(C)CC1
Mol. Weight (g/mol): 136.24
CAS: 5989-27-5

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

Name: (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChI Key: GRWFGVWFFZKLTI-IUCAKERBSA-N
Formula: C10H16
SMILES: CC1=CC[C@H]2C[C@@H]1C2(C)C
Mol. Weight (g/mol): 136.24
CAS: 7785-26-4

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Datasets

Mole fraction

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.325 (Liquid mixture 1)

Fixed	Measured
Mole fraction of D-Limonene (1) - Liquid mixture 1	Mole fraction of (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (3) - Liquid mixture 1	Mole fraction of (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (3) - Liquid mixture 2	Mole fraction of D-Limonene (1) - Liquid mixture 2
4.2700e-07	5.9000e-07	0.7471	0.2486
8.9600e-07	3.7500e-07	0.4975	0.4979
1.3200e-06	1.6100e-07	0.2485	0.7466

Sources

Mutual Solubilities of Terpene in Methanol and Water and Their Multicomponent Liquid-Liquid Equilibria

Note: These property values are available through the Cheméo API. A free account gives you an access key.